Mol:FL2FACGS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.8982 -0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 -0.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2507 -1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9633 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2434 0.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0392 1.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3231 1.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 -1.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5237 0.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -2.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 1.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2694 0.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8568 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 0.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 0.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6951 0.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 -0.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -0.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0609 1.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 2.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5235 2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 28 32 1 0 0 0 0 25 18 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 S SKP 8 ID FL2FACGS0015 KNApSAcK_ID C00014336 NAME Coccinoside A;5,7,3',4'-Tetrahydroxyflavanone 7-(6-acetylglucoside) CAS_RN 146555-76-2 FORMULA C23H24O12 EXACTMASS 492.126776232 AVERAGEMASS 492.42946 SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)O)CC2=O)OC(COC(C)=O)C1O M END